2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C12H13F4NO3 — CID 79258503

IUPAC2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCOc1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C12H13F4NO3/c13-9-1-3-10(4-2-9)20-6-5-17(7-11(18)19)8-12(14,15)16/h1-4H,5-8H2,(H,18,19)
InChIKeyOUFPCNXNFDOSMO-UHFFFAOYSA-N
MW295.23 g/mol
LogP2.15
Rot. Bonds7

About 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258503) has the molecular formula C12H13F4NO3 and a molecular weight of 295.23 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258503
Molecular FormulaC12H13F4NO3
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCOc1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C12H13F4NO3/c13-9-1-3-10(4-2-9)20-6-5-17(7-11(18)19)8-12(14,15)16/h1-4H,5-8H2,(H,18,19)
InChIKeyOUFPCNXNFDOSMO-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277557
2-[2-(4-fluorophenyl)sulfanylethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258611
2-[2-(2-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258602
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 107488601
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
2-[(3-propoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263713
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258503) is 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCOc1ccc(F)cc1)CC(F)(F)F.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OUFPCNXNFDOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO3/c13-9-1-3-10(4-2-9)20-6-5-17(7-11(18)19)8-12(14,15)16/h1-4H,5-8H2,(H,18,19).
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 295.23 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).